4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine

C13H15ClN4 — CID 80760820

IUPAC4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN4/c1-3-11-12(15-2)16-8-17-13(11)18-10-6-4-9(14)5-7-10/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyLIEZWVRVOUJLBI-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.48
Rot. Bonds4

About 4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine

4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80760820) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID80760820
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN4/c1-3-11-12(15-2)16-8-17-13(11)18-10-6-4-9(14)5-7-10/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyLIEZWVRVOUJLBI-UHFFFAOYSA-N
XLogP3.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760040
4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80772920
4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80763195
5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114071876
4-N-[1-(4-chlorophenyl)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80802117
5-ethyl-4-N-(4-methoxy-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80802280
4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 115379675
4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80761074
4-N-(1,3-benzothiazol-6-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107801945
5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine
CID 80802898
4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107794917
4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135249

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine (CID 80760820) is 4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine is CCc1c(NC)ncnc1Nc1ccc(Cl)cc1.
What is the InChIKey of 4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is LIEZWVRVOUJLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-3-11-12(15-2)16-8-17-13(11)18-10-6-4-9(14)5-7-10/h4-8H,3H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 262.74 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80760820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).